UCSF

ZINC69848115

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2011 25 Yes

Popular Name: [4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-(3-isopropyl-6-methyl-isoxazolo[5,4-b]pyridin-4-yl)methanon [4-[(2R)-2-hydroxypropyl]piperaz…

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Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.06 1.17 -12.64 1 7 0 83 346.431 4 ↓
Lo Low (pH 4.5-6) 1.06 3.36 -54.74 2 7 1 84 347.439 4 ↓

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Rings

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.